Numerical modeling of mass transfer processes coupling with reaction for the design of the ozone oxidation treatment of wastewater

doi:10.1007/s11705-020-1963-4

Front. Chem. Sci. Eng.

2021, Vol. 15

Issue (3) : 602-614 https://doi.org/10.1007/s11705-020-1963-4

RESEARCH ARTICLE

Numerical modeling of mass transfer processes coupling with reaction for the design of the ozone oxidation treatment of wastewater

Hong Li^1,², Fang Yi^1,², Xingang Li^1,², Xin Gao^1,²(

)

¹. School of Chemical Engineering and Technology, Tianjin University, Tianjin 300072, China
². National Engineering Research Center of Distillation Technology, Collaborative Innovation Center of Chemical Science and Engineering (Tianjin), Tianjin 300072, China

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Abstract

A computational model for an ozone oxidation column reactor used in dyeing wastewater treatment is proposed to represent, simulate, and predict the ozone bubble process. Considering the hydrodynamics, mass transfer, and ozone oxidation reaction, coupling modeling can more realistically calculate the ozone oxidation bubble process than the splitting methods proposed in previous research. The modeling is validated and shows great consistency with experimental data. The verified model is used to analyze the effect of operating conditions, such as the initial gas velocity and the ozone concentration, and structural conditions, such as multiple gas inlets. The ozone consumption is influenced by the gas velocity and the initial ozone concentration. The ozone’s utilization decreases with the increasing gas velocity while nearly the same at different initial ozone concentrations. Simulation results can be used in guiding the practical operation of dyeing wastewater treatment and in other ozonation systems with known rate constants in wastewater treatment.

Keywords ozone wastewater treatment numerical simulation mass transfer

Corresponding Author(s): Xin Gao

Just Accepted Date: 25 August 2020 Online First Date: 29 October 2020 Issue Date: 10 May 2021

Cite this article:

Hong Li,Fang Yi,Xingang Li, et al. Numerical modeling of mass transfer processes coupling with reaction for the design of the ozone oxidation treatment of wastewater[J]. Front. Chem. Sci. Eng., 2021, 15(3): 602-614.

URL:

https://academic.hep.com.cn/fcse/EN/10.1007/s11705-020-1963-4
https://academic.hep.com.cn/fcse/EN/Y2021/V15/I3/602

Fig.1 Schematic of the simulation domain.

Fig.2 Simulation results vs. experimental results: (a) Bubble diameter; (b) bubble rise velocity.

Tab.1 Simulation results of ozone bubbles in 2D and 3D cases at t = 0.93 s

Fig.3 Bubble characteristics with different initial velocities: (a) Bubble diameter along the height; (b) bubble velocity along the height; (c) mass transfer coefficients along the height.

Tab.2 Average mass transfer coefficients of the rising process and the corresponding Ha number for different initial velocity

Fig.4 Contour plots of gas-phase volume fraction: (a)

u g0

= 0.2 m·s⁻¹; (b)

u g0

= 0.4 m·s⁻¹; (c)

u g0

= 0.6 m·s⁻¹.

Tab.3 Parallel bubbles’ collision time and corresponding height with different orifice spacing

Fig.5 Contour plots of the gas phase volume fraction: (a) With effects of the reaction; (b) without effects of the reaction.

Fig.6 Influence of multiple gas inlets on rising trajectories of ozone bubbles.

Fig.7 Velocity distribution of the flow field: (a) Horizontal velocity with two gas inlets; (b) horizontal velocity with a single gas inlet.

Fig.8 Contour of the bubble formation: (a) Structure of s-1; (b) structure of s-2; (c) structure of s-3.

Fig.9 Contour plots of vertical velocity in gas phase simulations.

Fig.10 Bubble characteristics with different initial ozone concentrations: (a) Bubble velocity alone with the height; (b) ozone concentration of the bubble center along with the height.

Fig.11 Variation of bubbles’ residual ozone with different initial velocities and ozone concentrations.

Fig.12 Variation of ozone’ utilization with different initial velocities and ozone concentrations.

Tab.4 Ozone utilization at the height of 500 mm

Tab.5 Ozone utilization at the height of 400 mm

Tab.6 Ozone utilization at the height of 300 mm

A	interface area, m²
c	molar concentration, mol?m⁻³
D	diffusion coefficient, m²?s⁻¹
d_e	equivalent diameter, mm
E	enhancement factor, dimensionless
F_s	external body forces, N
g	gravity acceleration, m?s⁻²
H^cp	Henry’s law constant, mol?m⁻³?Pa⁻¹
Ha	Hatta number, dimensionless
$j$	mass diffusion flux, kg?m⁻²?s⁻¹
K	kinetic constant, m³?kmol ⁻¹?s⁻¹
k	mass transfer coefficient, m?s⁻²
$m ˙$	mass flux per control volume, kg?m⁻³?s⁻¹
p	pressure, N?m⁻²
R	chemical consumption rate, kmol?m⁻³?s⁻¹
t	time, s
u	velocity vector, m?s⁻¹
u_g0	initial gas velocity, m?s⁻¹
V_cell	control volume, m³
Y	mass fraction, dimensionless

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